Abstract: Anaplastic lymphoma kinase (ALK) belongs to the class of receptor tyrosine kinase (RTK) subfamily of enzymes which plays a crucial role in cell proliferation, and differentiation, however ...
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Abstract: Since they offer profound insights into the atomic-level interactions between drug candidates and their biological targets, molecular dynamics (MD) simulations have become extremely ...
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Introduction: The vascular endothelial growth factor receptor 2 (VEGFR-2) and the mesenchymal-epithelial transition factor (c-Met) are critical in the pathogenesis and progression of various cancers ...
A new technical paper titled “Modeling and Simulating Emerging Memory Technologies: A Tutorial” was published by researchers at TU Dortmund, TU Dresden, Karlsruhe Institute of Technology (KIT) and FAU ...
Introduction: Treatment of type 2 diabetes (T2D) remains a significant challenge because of its multifactorial nature and complex metabolic pathways. There is growing interest in finding new ...
Gordon Bell Prize Awarded To Molecular Dynamics-Quantum Mechanics Mashup On “Frontier” Supercomputer
For years, scientists in the field of molecular dynamics have been squeezed in their research. Traditional simulations that they have been using to track how atoms and molecules move through a system ...
In this potentially valuable computational study, the authors conducted atomistic and coarse-grained simulations to probe the temperature-dependent phase behaviors of ELF3, a disordered component of ...
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